N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide

C25H34N2O2 — CID 146536421

IUPACN-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide
SMILESCN(C(=O)Cc1ccc(CC(C)(C)N(C)C(=O)c2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C25H34N2O2/c1-24(2,3)26(6)22(28)17-19-13-15-20(16-14-19)18-25(4,5)27(7)23(29)21-11-9-8-10-12-21/h8-16H,17-18H2,1-7H3
InChIKeyBLHNTGQJVRDQPA-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.58
Rot. Bonds6

About N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide

N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide (PubChem CID 146536421) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide
PubChem CID146536421
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide
SMILESCN(C(=O)Cc1ccc(CC(C)(C)N(C)C(=O)c2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C25H34N2O2/c1-24(2,3)26(6)22(28)17-19-13-15-20(16-14-19)18-25(4,5)27(7)23(29)21-11-9-8-10-12-21/h8-16H,17-18H2,1-7H3
InChIKeyBLHNTGQJVRDQPA-UHFFFAOYSA-N
XLogP4.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-N-methylbenzamide
CID 82507200
2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
CID 62818448
N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide
CID 15895939
3-methyl-3-[methyl-[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 110834679
2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 55123970
2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476089
2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid
CID 62817552
N-bromo-N-tert-butylbenzamide
CID 141466989
benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate
CID 176618117
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
CID 43056971
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 63957387

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide?
The IUPAC name of N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide (CID 146536421) is N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide.
What is the SMILES notation for N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide?
The canonical SMILES for N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide is CN(C(=O)Cc1ccc(CC(C)(C)N(C)C(=O)c2ccccc2)cc1)C(C)(C)C.
What is the InChIKey of N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide?
The InChIKey is BLHNTGQJVRDQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-24(2,3)26(6)22(28)17-19-13-15-20(16-14-19)18-25(4,5)27(7)23(29)21-11-9-8-10-12-21/h8-16H,17-18H2,1-7H3.
What are the key properties of N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide?
N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide has a molecular weight of 394.56 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide is sourced from PubChem (CID 146536421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).